2-Butyn-1-ol, 4-chloro-
TL;DR: 2-Butyn-1-ol, 4-chloro- (CAS 13280-07-4) is a chemical compound with molecular formula C4H5ClO and molecular weight 104.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chlorobut-2-yn-1-ol
Also Known As: 4-Chloro-2-butyn-1-ol, 4-chlorobut-2-yn-1-ol, 2-Butyn-1-ol, 4-chloro-, 1-Chloro-2-butyn-4-ol, 4-Chloro-2-butynol
| Molecular Formula | C4H5ClO |
|---|---|
| Molecular Weight | 104.00 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 104.00289 |
| Heavy Atoms | 6 |
| Complexity | 76.0 |
Chemical Identifiers
| CAS Number | 13280-07-4 |
|---|---|
| SMILES | C(C#CCCl)O |
| InChIKey | RPUJAOFSZSEVPC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Butyn-1-ol, 4-chloro- (CAS 13280-07-4), with molecular formula C4H5ClO and molecular weight 104.00 g/mol. IUPAC: 4-chlorobut-2-yn-1-ol.
Chemical Property Profile of 2-Butyn-1-ol, 4-chloro-
Property Insights of 2-Butyn-1-ol, 4-chloro-
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butyn-1-ol, 4-chloro-. With a topological polar surface area (TPSA) of 20.2 Ų, 2-Butyn-1-ol, 4-chloro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butyn-1-ol, 4-chloro- has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Butyn-1-ol, 4-chloro-?
The CAS number of 2-Butyn-1-ol, 4-chloro- is 13280-07-4.
What is the molecular formula of 2-Butyn-1-ol, 4-chloro-?
The molecular formula of 2-Butyn-1-ol, 4-chloro- is C4H5ClO.
What is the molecular weight of 2-Butyn-1-ol, 4-chloro-?
The molecular weight of 2-Butyn-1-ol, 4-chloro- is 104.00 g/mol.
Where can I buy 2-Butyn-1-ol, 4-chloro-?
You can request a quote for 2-Butyn-1-ol, 4-chloro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butyn-1-ol, 4-chloro-?
Yes, KEHONG BIO provides custom synthesis services for 2-Butyn-1-ol, 4-chloro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.